2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid

C15H26N2O4 — CID 114679599

IUPAC2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCCCC2C(=O)O)CCC1O
InChIInChI=1S/C15H26N2O4/c1-10-9-17(8-7-13(10)18)15(21)16-12-6-4-2-3-5-11(12)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRVOPQEPYDCIKCY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.43
Rot. Bonds2

About 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid

2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 114679599) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID114679599
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCCCC2C(=O)O)CCC1O
InChIInChI=1S/C15H26N2O4/c1-10-9-17(8-7-13(10)18)15(21)16-12-6-4-2-3-5-11(12)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyRVOPQEPYDCIKCY-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 114679599) is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid is CC1CN(C(=O)NC2CCCCCC2C(=O)O)CCC1O.
What is the InChIKey of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is RVOPQEPYDCIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-9-17(8-7-13(10)18)15(21)16-12-6-4-2-3-5-11(12)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114679599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).